#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fi9 s ASP 2 N 0.00 6.91 0.19 1.61 2.15 -1.26 -4.71 116.67 121.57 1fi9 s ASP 2 Ca 0.00 1.88 -0.09 0.00 0.43 0.00 0.00 52.55 54.78 1fi9 s ASP 2 Cb 0.00 -2.55 0.10 0.00 -0.30 0.00 0.00 42.92 40.18 1fi9 s ASP 2 CO 0.00 -0.74 1.70 0.58 -0.17 0.00 0.00 175.17 176.54 1fi9 h VAL 3 N 5.28 1.26 0.59 1.11 2.07 -1.85 0.14 116.25 124.86 1fi9 h VAL 3 Ca -0.32 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.15 1fi9 h VAL 3 Cb 1.14 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1fi9 h VAL 3 CO 0.93 0.39 -0.28 -0.33 0.02 0.00 0.00 177.57 178.30 1fi9 h GLU 4 N 1.06 -0.76 -0.43 1.57 4.39 -1.92 0.13 114.58 118.62 1fi9 h GLU 4 Ca 0.21 0.05 0.05 0.00 0.34 0.00 0.00 59.36 60.01 1fi9 h GLU 4 Cb 0.42 0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 29.19 1fi9 h GLU 4 CO 0.01 -0.45 0.16 0.87 -1.16 0.00 0.00 179.01 178.44 1fi9 h LYS 5 N -1.05 0.33 -0.80 2.33 1.57 -1.93 -1.85 116.57 115.17 1fi9 h LYS 5 Ca -0.08 -0.02 0.18 0.00 -1.87 0.00 0.00 60.65 58.86 1fi9 h LYS 5 Cb 0.66 -0.07 -0.11 0.00 0.08 0.00 0.00 32.23 32.79 1fi9 h LYS 5 CO 0.13 0.22 0.28 0.78 -0.57 0.00 0.00 179.45 180.29 1fi9 h GLY 6 N 0.34 1.23 1.00 3.86 0.00 -0.53 0.36 103.07 109.34 1fi9 h GLY 6 Ca 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 1fi9 h GLY 6 CO -0.19 -0.20 -0.37 1.70 0.00 0.00 0.00 176.54 177.48 1fi9 h LYS 7 N 0.36 -1.00 -0.71 4.80 3.64 -0.15 -0.51 116.57 123.00 1fi9 h LYS 7 Ca 0.47 0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.88 1fi9 h LYS 7 Cb 0.81 0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 1fi9 h LYS 7 CO -0.50 -0.67 0.30 0.87 -2.27 0.00 0.00 179.45 177.19 1fi9 h LYS 8 N -1.04 1.03 0.34 1.90 6.56 -0.44 -0.05 116.57 124.89 1fi9 h LYS 8 Ca -0.10 -0.16 -0.00 0.00 -1.06 0.00 0.00 60.65 59.32 1fi9 h LYS 8 Cb 0.80 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 32.26 1fi9 h LYS 8 CO 0.17 0.83 -0.32 0.82 -2.06 0.00 0.00 179.45 178.88 1fi9 h ILE 9 N 1.02 0.33 -0.65 1.86 2.04 -0.21 0.46 117.51 122.35 1fi9 h ILE 9 Ca 0.24 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.24 1fi9 h ILE 9 Cb 0.17 0.33 -0.11 0.00 -0.74 0.00 0.00 36.82 36.46 1fi9 h ILE 9 CO -0.02 0.00 0.01 0.15 0.00 0.00 0.00 178.15 178.29 1fi9 h PHE 10 N -0.69 -0.03 0.00 1.37 3.57 -0.53 0.13 116.94 120.77 1fi9 h PHE 10 Ca -0.02 0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1fi9 h PHE 10 Cb 0.62 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1fi9 h PHE 10 CO -0.18 -0.17 -0.31 0.28 -2.23 0.00 0.00 178.31 175.69 1fi9 h VAL 11 N 0.12 0.98 0.00 1.41 2.07 -0.11 0.25 116.25 120.97 1fi9 h VAL 11 Ca 0.35 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1fi9 h VAL 11 Cb 0.57 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1fi9 h VAL 11 CO -0.56 0.31 -0.78 0.00 0.02 0.00 0.00 177.57 176.56 1fi9 n GLN 12 N -3.81 0.14 -0.04 1.57 1.13 0.15 -4.07 117.38 112.45 1fi9 n GLN 12 Ca -0.01 0.01 -0.06 0.00 -1.94 0.00 0.00 57.00 55.00 1fi9 n GLN 12 Cb 0.40 -1.55 -0.03 0.00 0.11 0.00 0.00 30.24 29.16 1fi9 n GLN 12 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1fi9 n LYS 13 N -1.74 0.17 0.00 -1.09 4.01 0.30 -4.99 118.16 114.83 1fi9 n LYS 13 Ca 0.04 0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.88 1fi9 n LYS 13 Cb 0.38 -1.05 0.00 0.00 -0.51 0.00 0.00 35.03 33.86 1fi9 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1fi9 n ALA 15 N -1.57 0.00 -0.88 0.00 0.00 -0.84 -2.98 120.51 114.24 1fi9 n ALA 15 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1fi9 n ALA 15 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1fi9 n ALA 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fi9 n GLN 16 N 0.00 1.75 0.00 0.00 1.13 -1.26 -2.97 117.38 116.03 1fi9 n GLN 16 Ca 0.00 -0.86 0.00 0.00 -1.94 0.00 0.00 57.00 54.20 1fi9 n GLN 16 Cb 0.00 -1.91 0.00 0.00 0.11 0.00 0.00 30.24 28.44 1fi9 n GLN 16 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fi9 s HIS 18 N -0.98 1.47 -0.03 0.00 3.76 -1.16 -1.24 115.29 117.11 1fi9 s HIS 18 Ca 0.00 -0.58 -0.01 0.00 -0.15 0.00 0.00 55.06 54.32 1fi9 s HIS 18 Cb 0.00 -0.74 -0.02 0.00 1.11 0.00 0.00 32.58 32.93 1fi9 s HIS 18 CO 0.00 0.19 -0.03 2.41 -0.85 0.00 0.00 174.74 176.45 1fi9 n THR 19 N 0.24 0.17 -0.97 1.30 -1.04 -1.26 -3.85 114.28 108.87 1fi9 n THR 19 Ca -0.13 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1fi9 n THR 19 Cb 0.58 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.06 1fi9 n THR 19 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1fi9 n VAL 20 N -2.84 0.00 -4.18 12.58 0.24 -1.26 -4.95 118.33 117.92 1fi9 n VAL 20 Ca -0.05 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.09 1fi9 n VAL 20 Cb 0.55 -0.49 -0.13 0.00 -1.47 0.00 0.00 33.84 32.30 1fi9 n VAL 20 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1fi9 s GLU 21 N -0.98 0.62 -0.51 7.34 0.41 -1.26 -3.76 118.70 120.56 1fi9 s GLU 21 Ca 0.00 -0.60 -0.27 0.00 -0.41 0.00 0.00 54.97 53.69 1fi9 s GLU 21 Cb 0.00 -0.52 -0.08 0.00 -1.78 0.00 0.00 34.13 31.75 1fi9 s GLU 21 CO 0.00 0.12 2.42 0.36 -0.49 0.00 0.00 175.26 177.68 1fi9 n LYS 22 N 2.01 1.03 0.00 1.61 -0.00 -1.26 -1.24 118.16 120.30 1fi9 n LYS 22 Ca -0.19 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 1fi9 n LYS 22 Cb 0.56 -3.29 0.00 0.00 -0.00 0.00 0.00 35.03 32.29 1fi9 n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fi9 n GLY 23 N 6.04 1.09 3.71 2.58 0.00 -1.26 -5.12 105.19 112.22 1fi9 n GLY 23 Ca 0.39 0.00 -0.62 0.00 0.00 0.00 0.00 46.02 45.79 1fi9 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fi9 n GLY 24 N 0.00 0.51 2.54 -0.02 0.00 -0.38 -4.96 105.19 102.88 1fi9 n GLY 24 Ca 0.00 0.94 -0.19 0.00 0.00 0.00 0.00 46.02 46.77 1fi9 n GLY 24 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fi9 n LYS 25 N 4.46 -0.79 -3.65 1.61 5.02 -1.26 -4.60 118.16 118.95 1fi9 n LYS 25 Ca 0.28 -1.38 -0.36 0.00 -2.02 0.00 0.00 58.31 54.83 1fi9 n LYS 25 Cb 0.05 -0.87 -0.07 0.00 -0.02 0.00 0.00 35.03 34.12 1fi9 n LYS 25 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1fi9 s HIS 26 N -2.85 3.82 0.00 2.13 3.76 -1.26 -4.38 115.29 116.50 1fi9 s HIS 26 Ca 0.49 -2.98 0.00 0.00 -0.15 0.00 0.00 55.06 52.42 1fi9 s HIS 26 Cb -0.01 -3.23 0.00 0.00 1.11 0.00 0.00 32.58 30.45 1fi9 s HIS 26 CO 0.34 -0.75 0.00 1.63 -0.85 0.00 0.00 174.74 175.11 1fi9 n LYS 27 N 2.51 0.00 0.13 1.40 5.02 -1.26 -5.05 118.16 120.91 1fi9 n LYS 27 Ca 0.19 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1fi9 n LYS 27 Cb 0.37 -0.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.88 1fi9 n LYS 27 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1fi9 n THR 28 N -2.47 0.01 -2.98 -0.18 -1.04 -1.26 -5.06 114.28 101.30 1fi9 n THR 28 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1fi9 n THR 28 Cb 0.00 -0.45 -0.05 0.00 -1.82 0.00 0.00 70.33 68.01 1fi9 n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1fi9 s GLY 29 N -4.88 2.82 0.72 3.41 0.00 -0.37 -5.05 107.32 103.96 1fi9 s GLY 29 Ca 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 44.72 44.91 1fi9 s GLY 29 CO 0.00 1.06 1.08 2.56 0.00 0.00 0.00 173.10 177.80 1fi9 s PRO 30 N -0.23 2.63 -0.72 2.90 0.04 -1.26 -4.47 135.00 133.88 1fi9 s PRO 30 Ca 0.38 1.10 -0.26 0.00 0.04 0.00 0.00 61.00 62.26 1fi9 s PRO 30 Cb -0.21 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1fi9 s PRO 30 CO 0.24 -1.35 2.01 1.21 0.04 0.00 0.00 177.00 179.14 1fi9 s ASN 31 N -3.47 5.00 0.10 6.66 2.47 -1.26 -4.51 114.94 119.92 1fi9 s ASN 31 Ca 0.60 0.03 -0.26 0.00 0.42 0.00 0.00 52.86 53.65 1fi9 s ASN 31 Cb -0.16 -2.54 -0.13 0.00 -1.45 0.00 0.00 41.25 36.98 1fi9 s ASN 31 CO 0.54 -2.71 1.68 -0.07 -3.72 0.00 0.00 177.10 172.82 1fi9 h LEU 32 N 17.89 -0.40 -0.69 3.21 3.38 -1.91 -3.46 115.31 133.33 1fi9 h LEU 32 Ca -0.10 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1fi9 h LEU 32 Cb 1.10 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1fi9 h LEU 32 CO 1.19 -0.23 -0.14 1.57 0.09 0.00 0.00 178.44 180.92 1fi9 n HIS 33 N -5.28 0.00 0.00 1.13 -0.00 -1.25 -3.86 115.22 105.96 1fi9 n HIS 33 Ca -0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.10 1fi9 n HIS 33 Cb 0.19 -0.21 0.00 0.00 -0.12 0.00 0.00 29.99 29.85 1fi9 n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1fi9 n GLY 34 N 0.89 1.39 0.34 1.57 0.00 -1.04 -5.04 105.19 103.30 1fi9 n GLY 34 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1fi9 n GLY 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1fi9 h LEU 35 N 0.00 -0.94 -5.65 0.99 5.85 -1.83 -3.14 115.31 110.60 1fi9 h LEU 35 Ca 0.00 0.11 -0.57 0.00 0.84 0.00 0.00 57.88 58.26 1fi9 h LEU 35 Cb 0.00 0.37 0.02 0.00 0.37 0.00 0.00 40.66 41.41 1fi9 h LEU 35 CO 0.00 -0.40 2.97 0.49 -0.34 0.00 0.00 178.44 181.17 1fi9 n PHE 36 N -5.41 2.15 0.00 1.25 3.01 -1.26 -3.20 117.46 114.00 1fi9 n PHE 36 Ca -0.06 -2.42 0.00 0.00 1.01 0.00 0.00 57.45 55.98 1fi9 n PHE 36 Cb 0.33 -2.06 0.00 0.00 -0.01 0.00 0.00 39.48 37.74 1fi9 n PHE 36 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1fi9 n GLY 37 N 3.94 0.00 3.73 1.37 0.00 -1.19 -5.05 105.19 107.99 1fi9 n GLY 37 Ca 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.48 1fi9 n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fi9 s ARG 38 N 0.00 2.11 0.50 1.61 6.06 -1.19 -5.05 118.95 122.98 1fi9 s ARG 38 Ca 0.00 -1.47 0.07 0.00 -2.50 0.00 0.00 55.73 51.83 1fi9 s ARG 38 Cb 0.00 0.58 0.03 0.00 0.06 0.00 0.00 34.95 35.61 1fi9 s ARG 38 CO 0.00 -0.96 0.45 0.15 -2.50 0.00 0.00 175.30 172.45 1fi9 s LYS 39 N -2.67 2.35 0.97 5.12 3.01 -1.26 -3.97 119.74 123.30 1fi9 s LYS 39 Ca 0.19 -1.80 -0.15 0.00 -1.01 0.00 0.00 55.97 53.20 1fi9 s LYS 39 Cb -0.04 -2.28 0.18 0.00 -1.01 0.00 0.00 37.83 34.69 1fi9 s LYS 39 CO 0.13 -0.51 1.21 0.95 0.51 0.00 0.00 175.35 177.64 1fi9 s THR 40 N -2.65 1.92 -1.28 2.17 -4.23 -0.76 -4.58 115.64 106.23 1fi9 s THR 40 Ca 0.43 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.66 1fi9 s THR 40 Cb -0.03 -2.84 0.04 0.00 1.34 0.00 0.00 72.50 71.01 1fi9 s THR 40 CO 0.26 0.00 0.53 0.61 -0.54 0.00 0.00 174.62 175.48 1fi9 n GLY 41 N -2.76 -0.67 1.12 3.99 0.00 -1.22 -4.74 105.19 100.91 1fi9 n GLY 41 Ca 0.12 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1fi9 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fi9 n GLN 42 N -4.96 0.00 -2.70 1.61 -0.00 -1.26 -4.56 117.38 105.50 1fi9 n GLN 42 Ca -0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 57.00 56.81 1fi9 n GLN 42 Cb 0.58 -0.44 -0.03 0.00 -0.00 0.00 0.00 30.24 30.35 1fi9 n GLN 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1fi9 n ALA 43 N -3.00 -3.29 -1.90 2.61 0.00 -1.26 -4.74 120.51 108.92 1fi9 n ALA 43 Ca 0.00 1.77 -0.40 0.00 0.00 0.00 0.00 53.44 54.81 1fi9 n ALA 43 Cb 0.40 -3.54 -0.02 0.00 0.00 0.00 0.00 19.45 16.28 1fi9 n ALA 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1fi9 n PRO 44 N 1.65 2.43 -1.63 0.00 -0.04 -1.26 -3.43 135.00 132.72 1fi9 n PRO 44 Ca -0.29 -2.61 -0.01 0.00 -0.04 0.00 0.00 63.50 60.55 1fi9 n PRO 44 Cb 0.47 -3.35 0.00 0.00 -0.04 0.00 0.00 33.50 30.59 1fi9 n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fi9 n GLY 45 N 4.86 0.79 3.53 0.55 0.00 -1.26 -4.99 105.19 108.66 1fi9 n GLY 45 Ca 0.49 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 1fi9 n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fi9 s PHE 46 N -3.02 -0.21 -0.59 1.61 5.36 -1.22 -5.02 117.98 114.90 1fi9 s PHE 46 Ca 0.02 -0.12 -0.18 0.00 -0.96 0.00 0.00 56.93 55.68 1fi9 s PHE 46 Cb -0.00 0.45 0.11 0.00 -0.34 0.00 0.00 43.02 43.24 1fi9 s PHE 46 CO 0.03 -0.93 0.66 0.95 -1.46 0.00 0.00 175.22 174.47 1fi9 s THR 47 N -3.85 4.94 0.84 0.12 -4.23 -1.26 -4.79 115.64 107.40 1fi9 s THR 47 Ca 0.08 -1.17 -0.11 0.00 -1.18 0.00 0.00 61.69 59.30 1fi9 s THR 47 Cb -0.01 -4.46 0.13 0.00 1.34 0.00 0.00 72.50 69.50 1fi9 s THR 47 CO -0.04 -1.07 1.18 -0.72 -0.54 0.00 0.00 174.62 173.43 1fi9 s TYR 48 N 2.34 2.21 0.01 3.99 1.13 -1.26 -5.09 117.35 120.68 1fi9 s TYR 48 Ca 0.10 0.37 0.01 0.00 -1.41 0.00 0.00 57.07 56.14 1fi9 s TYR 48 Cb -0.25 -3.62 -0.04 0.00 -1.10 0.00 0.00 41.96 36.95 1fi9 s TYR 48 CO 0.05 -2.04 0.03 0.99 -2.51 0.00 0.00 175.55 172.07 1fi9 s THR 49 N -3.58 4.36 -0.48 -3.49 2.01 -1.26 -5.01 115.64 108.19 1fi9 s THR 49 Ca 0.67 -0.58 -0.24 0.00 0.31 0.00 0.00 61.69 61.85 1fi9 s THR 49 Cb -0.07 -2.98 -0.23 0.00 0.01 0.00 0.00 72.50 69.22 1fi9 s THR 49 CO 0.49 0.33 1.79 0.47 -0.69 0.00 0.00 174.62 177.01 1fi9 n ASP 50 N 1.19 1.99 0.03 3.53 9.92 -1.26 -2.21 116.55 129.74 1fi9 n ASP 50 Ca -0.13 -2.59 0.00 0.00 -0.53 0.00 0.00 54.79 51.54 1fi9 n ASP 50 Cb 0.53 -0.88 0.00 0.00 -0.64 0.00 0.00 41.12 40.13 1fi9 n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fi9 n ALA 51 N 7.86 0.00 -0.30 2.24 0.00 -1.26 -4.86 120.51 124.18 1fi9 n ALA 51 Ca 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.86 1fi9 n ALA 51 Cb 0.39 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.91 1fi9 n ALA 51 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1fi9 h ASN 52 N 0.00 1.10 -0.01 0.00 2.35 -1.86 -0.01 115.58 117.15 1fi9 h ASN 52 Ca 0.00 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.58 1fi9 h ASN 52 Cb 0.00 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 1fi9 h ASN 52 CO 0.00 0.94 -0.05 0.50 -1.65 0.00 0.00 177.43 177.18 1fi9 h LYS 53 N 1.18 0.17 0.00 0.81 3.11 -1.80 -0.68 116.57 119.36 1fi9 h LYS 53 Ca 0.28 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.10 1fi9 h LYS 53 Cb 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.35 1fi9 h LYS 53 CO -0.03 0.23 0.00 -0.97 -2.81 0.00 0.00 179.45 175.87 1fi9 h ASN 54 N 0.17 0.00 0.28 4.20 -0.73 -1.34 -3.23 115.58 114.93 1fi9 h ASN 54 Ca 0.04 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.20 1fi9 h ASN 54 Cb 0.20 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.79 1fi9 h ASN 54 CO 0.01 0.00 -0.13 0.50 -0.37 0.00 0.00 177.43 177.43 1fi9 h LYS 55 N 0.00 -0.36 -5.11 6.67 3.64 -0.81 -3.49 116.57 117.11 1fi9 h LYS 55 Ca 0.00 0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.13 1fi9 h LYS 55 Cb 0.26 0.08 0.15 0.00 -0.41 0.00 0.00 32.23 32.31 1fi9 h LYS 55 CO 0.00 -0.10 -0.67 0.41 -2.27 0.00 0.00 179.45 176.82 1fi9 n GLY 56 N 0.61 -0.33 2.04 5.01 0.00 -1.22 -5.03 105.19 106.26 1fi9 n GLY 56 Ca -0.07 0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1fi9 n GLY 56 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1fi9 n ILE 57 N -3.57 0.00 -4.32 -0.61 -6.64 -1.26 -4.94 119.36 98.02 1fi9 n ILE 57 Ca -0.22 -1.47 -0.29 0.00 -1.77 0.00 0.00 62.75 59.00 1fi9 n ILE 57 Cb 0.64 0.58 -0.11 0.00 -1.44 0.00 0.00 39.64 39.31 1fi9 n ILE 57 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1fi9 s THR 58 N -2.57 2.82 -0.26 7.28 -4.23 -1.26 -1.83 115.64 115.58 1fi9 s THR 58 Ca 0.16 -1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 58.97 1fi9 s THR 58 Cb 0.01 -2.31 -0.05 0.00 1.34 0.00 0.00 72.50 71.49 1fi9 s THR 58 CO 0.11 0.05 0.18 0.26 -0.54 0.00 0.00 174.62 174.68 1fi9 s TRP 59 N -1.27 3.28 -0.39 3.99 0.52 -1.25 -4.69 118.94 119.12 1fi9 s TRP 59 Ca 0.19 0.19 0.08 0.00 0.02 0.00 0.00 56.10 56.58 1fi9 s TRP 59 Cb -0.10 -2.32 0.35 0.00 -1.15 0.00 0.00 33.47 30.24 1fi9 s TRP 59 CO 0.11 -0.03 1.31 0.36 0.02 0.00 0.00 176.95 178.71 1fi9 n LYS 60 N 4.62 1.06 0.00 4.98 2.85 -1.26 -4.11 118.16 126.30 1fi9 n LYS 60 Ca -0.14 -1.69 0.00 0.00 -1.05 0.00 0.00 58.31 55.43 1fi9 n LYS 60 Cb 0.52 -0.11 0.00 0.00 -0.65 0.00 0.00 35.03 34.79 1fi9 n LYS 60 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1fi9 n GLU 61 N -0.51 0.00 -0.17 -1.58 2.13 -1.26 -4.54 120.64 114.71 1fi9 n GLU 61 Ca -0.05 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.72 1fi9 n GLU 61 Cb 0.81 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.48 1fi9 n GLU 61 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1fi9 n GLU 62 N 0.00 -0.17 -0.24 5.31 1.02 -1.26 0.01 120.64 125.31 1fi9 n GLU 62 Ca 0.00 0.83 -0.07 0.00 -0.02 0.00 0.00 57.16 57.90 1fi9 n GLU 62 Cb 0.00 -1.23 0.04 0.00 -0.02 0.00 0.00 31.44 30.23 1fi9 n GLU 62 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1fi9 h THR 63 N 0.00 1.24 0.19 2.62 1.35 -1.84 -3.04 112.91 113.44 1fi9 h THR 63 Ca 0.06 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1fi9 h THR 63 Cb 0.16 0.49 -0.01 0.00 -1.73 0.00 0.00 68.15 67.06 1fi9 h THR 63 CO -0.37 0.29 -0.16 -0.07 -0.25 0.00 0.00 175.52 174.96 1fi9 h LEU 64 N 0.93 -0.43 -0.98 3.87 4.07 -1.11 0.61 115.31 122.27 1fi9 h LEU 64 Ca 0.22 0.04 0.31 0.00 0.08 0.00 0.00 57.88 58.53 1fi9 h LEU 64 Cb 0.20 0.14 -0.18 0.00 1.08 0.00 0.00 40.66 41.90 1fi9 h LEU 64 CO -0.02 -0.25 0.21 0.24 -1.08 0.00 0.00 178.44 177.54 1fi9 h MET 65 N -0.37 0.03 0.01 1.13 2.86 -0.31 0.14 114.93 118.42 1fi9 h MET 65 Ca -0.01 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1fi9 h MET 65 Cb 0.34 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1fi9 h MET 65 CO -0.02 0.02 -0.01 0.93 1.06 0.00 0.00 176.91 178.89 1fi9 h GLU 66 N 0.03 -0.01 -0.39 1.72 5.08 -1.36 -3.21 114.58 116.43 1fi9 h GLU 66 Ca 0.67 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 59.11 1fi9 h GLU 66 Cb 1.53 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.70 1fi9 h GLU 66 CO -0.85 0.79 -0.32 -0.92 -1.00 0.00 0.00 179.01 176.71 1fi9 h TYR 67 N -0.89 -0.89 -0.03 4.33 3.20 0.55 0.17 116.97 123.40 1fi9 h TYR 67 Ca -0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1fi9 h TYR 67 Cb 0.81 0.45 0.00 0.00 1.54 0.00 0.00 36.73 39.53 1fi9 h TYR 67 CO 0.22 -0.38 0.00 1.28 -1.64 0.00 0.00 178.16 177.63 1fi9 n LEU 68 N -5.42 0.24 -0.12 2.82 4.77 0.36 -1.76 117.00 117.89 1fi9 n LEU 68 Ca 0.01 -0.12 0.02 0.00 -0.03 0.00 0.00 56.01 55.88 1fi9 n LEU 68 Cb 0.34 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 1fi9 n LEU 68 CO 0.07 0.06 0.31 1.21 -1.33 0.00 0.00 177.39 177.71 1fi9 n GLU 69 N -0.38 -0.45 -2.71 3.23 0.00 0.38 -2.00 120.64 118.71 1fi9 n GLU 69 Ca 0.01 -0.71 -0.07 0.00 0.00 0.00 0.00 57.16 56.38 1fi9 n GLU 69 Cb 0.05 -1.06 0.10 0.00 0.00 0.00 0.00 31.44 30.52 1fi9 n GLU 69 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1fi9 n ASN 70 N 0.16 -2.02 0.18 4.31 3.02 -0.03 -4.86 115.26 116.02 1fi9 n ASN 70 Ca 0.02 -3.12 0.13 0.00 -0.03 0.00 0.00 54.58 51.58 1fi9 n ASN 70 Cb 0.08 1.69 0.38 0.00 -0.61 0.00 0.00 39.78 41.32 1fi9 n ASN 70 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1fi9 h PRO 71 N 2.79 0.00 -1.81 3.52 0.13 -1.72 -2.93 132.00 131.98 1fi9 h PRO 71 Ca -0.17 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.29 1fi9 h PRO 71 Cb 1.13 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.91 1fi9 h PRO 71 CO 0.09 0.00 0.07 0.36 -0.23 0.00 0.00 178.00 178.29 1fi9 n LYS 72 N -2.71 3.30 0.07 0.86 0.00 -1.26 -4.56 118.16 113.85 1fi9 n LYS 72 Ca 0.04 -4.18 0.00 0.00 -0.00 0.00 0.00 58.31 54.17 1fi9 n LYS 72 Cb 0.42 -2.27 0.00 0.00 -0.00 0.00 0.00 35.03 33.18 1fi9 n LYS 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1fi9 n LYS 73 N -0.45 0.00 0.06 -1.58 0.00 -1.11 -4.74 118.16 110.34 1fi9 n LYS 73 Ca 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.63 1fi9 n LYS 73 Cb 0.45 -0.01 -0.08 0.00 0.00 0.00 0.00 35.03 35.38 1fi9 n LYS 73 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 1fi9 h TYR 74 N 0.00 -0.10 -2.64 5.64 0.05 -1.82 -3.40 116.97 114.71 1fi9 h TYR 74 Ca 0.00 -0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.18 1fi9 h TYR 74 Cb 0.02 0.03 -0.39 0.00 1.01 0.00 0.00 36.73 37.40 1fi9 h TYR 74 CO 0.00 0.10 -0.85 0.96 -1.05 0.00 0.00 178.16 177.32 1fi9 s ILE 75 N -5.48 0.77 -1.09 -2.88 -4.36 -1.26 -5.05 121.20 101.84 1fi9 s ILE 75 Ca -0.14 -2.52 -0.20 0.00 -0.26 0.00 0.00 60.65 57.53 1fi9 s ILE 75 Cb 0.04 -1.54 -0.07 0.00 1.25 0.00 0.00 42.46 42.15 1fi9 s ILE 75 CO 0.65 -1.07 1.96 -0.81 0.24 0.00 0.00 174.94 175.92 1fi9 n PRO 76 N 3.26 2.06 0.00 0.37 -0.04 -1.26 -3.41 135.00 135.98 1fi9 n PRO 76 Ca 0.19 -2.37 0.00 0.00 -0.04 0.00 0.00 63.50 61.28 1fi9 n PRO 76 Cb 0.40 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.59 1fi9 n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fi9 n GLY 77 N 4.87 0.00 0.13 0.55 0.00 -1.26 -5.07 105.19 104.41 1fi9 n GLY 77 Ca 0.49 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.34 1fi9 n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1fi9 n THR 78 N 0.00 1.48 0.00 2.61 5.66 -1.22 -4.96 114.28 117.85 1fi9 n THR 78 Ca 0.00 -0.61 0.00 0.00 -3.05 0.00 0.00 64.05 60.39 1fi9 n THR 78 Cb 0.00 -1.30 0.00 0.00 -1.55 0.00 0.00 70.33 67.48 1fi9 n THR 78 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1fi9 n LYS 79 N -3.20 0.00 -0.41 1.09 0.00 -1.26 -4.97 118.16 109.41 1fi9 n LYS 79 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 57.87 1fi9 n LYS 79 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 36.04 1fi9 n LYS 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1fi9 n MET 80 N -0.88 -1.16 -2.54 -1.58 1.56 -1.26 -5.14 117.12 106.12 1fi9 n MET 80 Ca 0.00 0.86 -0.05 0.00 -0.27 0.00 0.00 57.70 58.24 1fi9 n MET 80 Cb 0.00 -0.97 0.02 0.00 2.15 0.00 0.00 33.22 34.42 1fi9 n MET 80 CO 0.00 0.00 0.00 1.51 -0.73 0.00 0.00 175.97 176.75 1fi9 n ILE 81 N -0.87 0.00 -0.81 1.12 3.06 -1.26 -5.12 119.36 115.47 1fi9 n ILE 81 Ca 0.00 -0.55 -0.33 0.00 -2.50 0.00 0.00 62.75 59.36 1fi9 n ILE 81 Cb 0.00 0.55 0.10 0.00 0.54 0.00 0.00 39.64 40.83 1fi9 n ILE 81 CO 0.00 0.00 0.00 2.22 -2.50 0.00 0.00 176.55 176.27 1fi9 n PHE 82 N -0.30 -1.40 -0.16 9.51 -1.74 -1.26 -4.89 117.46 117.22 1fi9 n PHE 82 Ca -0.05 0.39 -0.12 0.00 -0.56 0.00 0.00 57.45 57.11 1fi9 n PHE 82 Cb 0.33 -1.46 -0.08 0.00 1.52 0.00 0.00 39.48 39.79 1fi9 n PHE 82 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1fi9 h ALA 83 N -1.62 -0.66 0.00 1.98 0.00 -1.99 -3.45 119.26 113.51 1fi9 h ALA 83 Ca -0.44 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1fi9 h ALA 83 Cb 1.30 1.08 0.00 0.00 0.00 0.00 0.00 17.79 20.17 1fi9 h ALA 83 CO 0.28 -0.99 0.00 0.41 0.00 0.00 0.00 179.25 178.94 1fi9 n GLY 84 N -1.38 -0.58 3.70 0.00 0.00 -1.26 -4.25 105.19 101.41 1fi9 n GLY 84 Ca -0.02 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 1fi9 n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1fi9 n ILE 85 N 9.00 2.70 -0.34 -0.61 2.08 -0.85 -4.88 119.36 126.46 1fi9 n ILE 85 Ca 0.00 -0.28 0.02 0.00 0.56 0.00 0.00 62.75 63.06 1fi9 n ILE 85 Cb 0.00 -1.26 0.08 0.00 -0.75 0.00 0.00 39.64 37.71 1fi9 n ILE 85 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1fi9 n LYS 86 N -2.92 -0.15 -2.35 0.38 5.02 -1.26 -4.82 118.16 112.05 1fi9 n LYS 86 Ca 0.14 1.42 0.00 0.00 -2.02 0.00 0.00 58.31 57.85 1fi9 n LYS 86 Cb 0.50 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 1fi9 n LYS 86 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1fi9 n LYS 87 N -5.42 0.07 -0.19 1.97 2.85 -1.26 -5.04 118.16 111.13 1fi9 n LYS 87 Ca 0.12 -0.24 -0.02 0.00 -1.05 0.00 0.00 58.31 57.12 1fi9 n LYS 87 Cb 0.41 0.37 0.08 0.00 -0.65 0.00 0.00 35.03 35.24 1fi9 n LYS 87 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 1fi9 h LYS 88 N 0.00 0.51 0.02 -1.58 5.09 -1.98 -1.14 116.57 117.49 1fi9 h LYS 88 Ca -0.06 -0.03 0.03 0.00 0.09 0.00 0.00 60.65 60.68 1fi9 h LYS 88 Cb 0.31 -0.11 -0.05 0.00 0.10 0.00 0.00 32.23 32.47 1fi9 h LYS 88 CO 0.08 0.34 -0.45 1.15 -2.09 0.00 0.00 179.45 178.48 1fi9 h THR 89 N 0.52 0.11 -0.37 0.07 2.02 -1.99 0.34 112.91 113.61 1fi9 h THR 89 Ca 0.27 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.45 1fi9 h THR 89 Cb 0.22 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1fi9 h THR 89 CO -0.21 0.00 0.23 -0.33 0.37 0.00 0.00 175.52 175.58 1fi9 h GLU 90 N -0.62 0.50 -1.00 6.66 4.39 -1.93 -1.68 114.58 120.91 1fi9 h GLU 90 Ca 0.03 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.75 1fi9 h GLU 90 Cb 0.68 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.16 1fi9 h GLU 90 CO -0.32 0.37 0.65 -0.09 -1.16 0.00 0.00 179.01 178.46 1fi9 h ARG 91 N 0.49 1.16 0.14 2.33 2.43 -0.22 0.19 114.38 120.90 1fi9 h ARG 91 Ca 0.13 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1fi9 h ARG 91 Cb -0.01 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.28 1fi9 h ARG 91 CO -0.03 0.77 -0.07 1.49 -1.51 0.00 0.00 179.97 180.62 1fi9 h GLU 92 N 1.20 -0.18 -0.71 0.20 4.81 -0.08 -1.23 114.58 118.58 1fi9 h GLU 92 Ca 0.42 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.78 1fi9 h GLU 92 Cb 0.12 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.46 1fi9 h GLU 92 CO -0.16 0.10 0.31 -0.44 -0.73 0.00 0.00 179.01 178.09 1fi9 h ASP 93 N -0.46 0.34 -0.14 1.04 3.32 -1.00 -2.63 116.42 116.88 1fi9 h ASP 93 Ca -0.02 0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.16 1fi9 h ASP 93 Cb 0.37 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.90 1fi9 h ASP 93 CO 0.03 0.17 -0.30 0.25 -1.72 0.00 0.00 179.24 177.67 1fi9 h LEU 94 N 0.50 -0.94 -0.79 1.55 6.46 -0.03 -0.59 115.31 121.46 1fi9 h LEU 94 Ca 0.37 0.14 0.16 0.00 -0.12 0.00 0.00 57.88 58.43 1fi9 h LEU 94 Cb 0.49 0.40 -0.10 0.00 -0.73 0.00 0.00 40.66 40.72 1fi9 h LEU 94 CO -0.34 -0.34 0.31 0.40 -0.62 0.00 0.00 178.44 177.85 1fi9 h ILE 95 N -0.37 0.61 -0.36 4.05 5.03 -0.90 -0.97 117.51 124.60 1fi9 h ILE 95 Ca 0.10 -0.15 0.07 0.00 -0.12 0.00 0.00 64.86 64.76 1fi9 h ILE 95 Cb 0.53 0.14 -0.06 0.00 -3.03 0.00 0.00 36.82 34.40 1fi9 h ILE 95 CO -0.35 0.08 -0.01 0.00 -0.68 0.00 0.00 178.15 177.19 1fi9 h ALA 96 N 1.59 0.32 0.82 1.87 0.00 -0.78 0.25 119.26 123.31 1fi9 h ALA 96 Ca 0.44 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.43 1fi9 h ALA 96 Cb 0.72 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1fi9 h ALA 96 CO -0.44 -0.41 -0.49 -0.92 0.00 0.00 0.00 179.25 176.99 1fi9 h TYR 97 N 0.09 -1.31 -0.77 0.00 3.20 -1.08 -3.22 116.97 113.88 1fi9 h TYR 97 Ca 0.18 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.21 1fi9 h TYR 97 Cb 0.25 0.46 -0.13 0.00 1.54 0.00 0.00 36.73 38.85 1fi9 h TYR 97 CO -0.26 -0.74 -0.00 -0.07 -1.64 0.00 0.00 178.16 175.45 1fi9 h LEU 98 N -1.22 -0.37 -0.75 2.82 4.07 -0.45 0.14 115.31 119.55 1fi9 h LEU 98 Ca -0.11 0.20 0.09 0.00 0.08 0.00 0.00 57.88 58.14 1fi9 h LEU 98 Cb 0.98 0.36 -0.12 0.00 1.08 0.00 0.00 40.66 42.96 1fi9 h LEU 98 CO 0.12 -0.19 -0.50 0.11 -1.08 0.00 0.00 178.44 176.90 1fi9 h LYS 99 N 0.09 -0.14 -0.13 1.13 1.57 -0.55 0.17 116.57 118.71 1fi9 h LYS 99 Ca 0.42 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.15 1fi9 h LYS 99 Cb 0.74 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1fi9 h LYS 99 CO -0.68 -0.10 -0.14 -0.22 -0.57 0.00 0.00 179.45 177.74 1fi9 h LYS 100 N -0.15 0.33 0.60 3.15 1.63 -1.00 -2.88 116.57 118.25 1fi9 h LYS 100 Ca 0.18 -0.18 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 1fi9 h LYS 100 Cb 0.53 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.16 1fi9 h LYS 100 CO -0.80 0.73 -0.34 0.00 -3.45 0.00 0.00 179.45 175.59 1fi9 h ALA 101 N 0.60 -0.89 -0.58 5.00 0.00 -0.01 0.14 119.26 123.51 1fi9 h ALA 101 Ca 0.02 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1fi9 h ALA 101 Cb 0.67 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1fi9 h ALA 101 CO 0.03 -1.01 0.09 1.79 0.00 0.00 0.00 179.25 180.16 1fi9 h THR 102 N -0.88 1.25 -0.23 0.00 1.35 -0.78 -2.54 112.91 111.08 1fi9 h THR 102 Ca -0.08 -0.95 -0.00 0.00 -0.55 0.00 0.00 66.41 64.83 1fi9 h THR 102 Cb 0.70 0.70 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 1fi9 h THR 102 CO 0.09 0.35 0.12 -1.13 -0.25 0.00 0.00 175.52 174.71 1fi9 h ASN 103 N 0.88 0.29 0.00 5.36 -0.73 -1.33 -2.75 115.58 117.30 1fi9 h ASN 103 Ca 0.18 -0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.26 1fi9 h ASN 103 Cb 0.39 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.90 1fi9 h ASN 103 CO 0.01 0.29 0.00 1.21 -0.37 0.00 0.00 177.43 178.57